6,7-dimethoxy-2-methyl-4-[methylsulfanylcarbonyl-(phenylmethyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylic acid

Systemtic Name: 6,7-dimethoxy-2-methyl-4-[methylsulfanylcarbonyl-(phenylmethyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylic acid Openeye Name: 4-[benzyl(methylsulfanylcarbonyl)amino]-6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid CAS Name: 6,7-dimethoxy-2-methyl-4-[[(methylthio)-oxomethyl]-(phenylmethyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylic acid IUPAC Name: 4-[benzyl(methylsulfanylcarbonyl)amino]-6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid Traditional Name: 4-[benzyl-(methylthio)carbonyl-amino]-6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C2=CC(=C(C=C2N1C(=O)O)OC)OC)N(CC3=CC=CC=C3)C(=O)SC

Isomeric SMILES

CC1CC(C2=CC(=C(C=C2N1C(=O)O)OC)OC)N(CC3=CC=CC=C3)C(=O)SC

InChI

InChI=1S/C22H26N2O5S/c1-14-10-17(23(22(27)30-4)13-15-8-6-5-7-9-15)16-11-19(28-2)20(29-3)12-18(16)24(14)21(25)26/h5-9,11-12,14,17H,10,13H2,1-4H3,(H,25,26)